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Atomic scale study of corrugating and anticorrugating states on the bare Si(1 0 0) surface
ArticleAbstract: In this article, we study the origin of the corrugating and anticorrugating states through the electPalabras claves:anticorrugating state, density functional theory, DFT simulation, HSE, Scanning tunneling microscopy, silicon surfaceAutores:Henry P. Pinto, Leszczynski J., Riedel D., Yengui M.Fuentes:googlescopusAtomic-scale study of the adsorption of calcium fluoride on Si(100) at low-coverage regime
ArticleAbstract: We investigate, experimentally and theoretically, the initial stage of the formation of Ca/Si and SiPalabras claves:Autores:Chiaravalloti F., Dujardin G., Foster A.S., Henry P. Pinto, Riedel D.Fuentes:googlescopusAnalysis of radiation-induced hole localisation in titanates
Conference ObjectAbstract: Hole self-trapping in technologically important BaTiO3 and SrTiO3 crystals is studied using a quantuPalabras claves:BaTiO 3, Hole self-trapping, SrTiO 3Autores:Henry P. Pinto, Stashans A.Fuentes:googlescopusDensity-functional study of impurity-related DX centers in CdF<inf>2</inf>
ArticleAbstract: We have studied computationally the CdF2 crystal doped with Al, Ga, In, Sc and Y impurities, using tPalabras claves:Autores:Henry P. Pinto, Nieminen R.M.Fuentes:googlescopusAb Initio studies of anatase TiO<inf>2</inf> (101) surface-supported au<inf>8</inf> clusters
ArticleAbstract: Supported transition metals on TiO2 surfaces have shown exceptional catalytic properties in many impPalabras claves:Au-cluster, Density-functional theory, electronic structure, Surface (101), TiO anatase 2, VdW-DFAutores:Gajewicz A., Henry P. Pinto, Leszczynski J., Mikolajczyk A., Puzyn T.Fuentes:googlescopusAb initio study of γ-Al<inf>2</inf>O<inf>3</inf> surfaces
ArticleAbstract: Starting from the theoretical pbkp_rediction of the γ-Al 2O3 structure using density-functional theoPalabras claves:Autores:Elliott S.D., Henry P. Pinto, Nieminen R.M.Fuentes:googlescopusAb-initio study on the γ-Al<inf>2</inf>O<inf>3</inf> surfaces and interfaces
Conference ObjectAbstract: The controlled growth of alumina films by atomic layer deposition (ALD) is of great interest to thePalabras claves:Autores:Elliott S.D., Henry P. PintoFuentes:googlescopusExperimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS<inf>2</inf> quantum dots embedded on Bi<inf>2</inf>WO<inf>6</inf>
ArticleAbstract: Bismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photoPalabras claves:AgInS Quantum dots 2, Bismuth tungstate, DFT calculation, Hydrogen evolution, Phenol degradation, photocatalysisAutores:Bajorowicz B., Henry P. Pinto, Klimczuk T., Lisowski W., Mikolajczyk A., Parnicka P., Trykowski G., Zaleska-Medynska A.Fuentes:googlescopusMono- and bimetallic nanoparticles decorated KTaO <inf>3</inf> photocatalysts with improved Vis and UV–Vis light activity
ArticleAbstract: Novel mono- and bimetallic nanoparticles (MNPs and BNPs) decorated surface of perovskite-type KTaO 3Palabras claves:Mono- and bimetallic nanoparticles, Noble metal photodeposition, Perovskite KTaO 3, Pollutant degradation/H generation 2, Vis/UV–Vis photocatalytic activityAutores:Henry P. Pinto, Klimczuk T., Krukowska A., Lisowski W., Mikolajczyk A., Trykowski G., Winiarski M.J., Zaleska-Medynska A.Fuentes:googlescopusInteraction of epoxy-based hydrogels and water: A molecular dynamics simulation study
ArticleAbstract: Biomaterials play a crucial role in tissue engineering as a functional replacement, regenerative medPalabras claves:Atomistic MD simulation, Biomaterials, Epoxy-based hydrogel, Gibbs dividing surface, surface roughness, Swelling behaviorAutores:Henry P. Pinto, Leszczynski J., Roy J.K.Fuentes:googlescopus